Information card for entry 4103841

Structure parameters

• Formula: C36 H26 N6 Os
• Calculated formula: C36 H26 N6 Os
• SMILES: [Os]1234(n5c6ccccc6n1c1ccccc1n2c1ccccc1n3c1ccccc51)Nc1ccccc1N4c1ccccc1
• Title of publication: Regioselective Knitting of Anilinevia ortho-C-N Bond Fusion Using OsO4 as a Template
• Authors of publication: Subhas Samanta; Sreebrata Goswami
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 924 - 925
• a: 10.4293 ± 0.0008 Å
• b: 12.5452 ± 0.0009 Å
• c: 13.8588 ± 0.0016 Å
• α: 109.115 ± 0.002°
• β: 101.802 ± 0.002°
• γ: 110.145 ± 0.001°
• Cell volume: 1502 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No